4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(cyclopentylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H17N5O4/c22-16(23)10-5-7-12(8-6-10)20-15-13(21(24)25)14(17-9-18-15)19-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,22,23)(H2,17,18,19,20)